(2-ethenyl-1-hydroxy-5-methylhex-4-enyl)azanium

C9H18NO+ — CID 149096884

IUPAC(2-ethenyl-1-hydroxy-5-methylhex-4-enyl)azanium
SMILESC=CC(CC=C(C)C)C([NH3+])O
InChIInChI=1S/C9H17NO/c1-4-8(9(10)11)6-5-7(2)3/h4-5,8-9,11H,1,6,10H2,2-3H3/p+1
InChIKeyQTUAEEZOGXYRBD-UHFFFAOYSA-O
MW156.25 g/mol
LogP0.71
Rot. Bonds4

About (2-ethenyl-1-hydroxy-5-methylhex-4-enyl)azanium

(2-ethenyl-1-hydroxy-5-methylhex-4-enyl)azanium (PubChem CID 149096884) has the molecular formula C9H18NO+ and a molecular weight of 156.25 g/mol. Its IUPAC name is (2-ethenyl-1-hydroxy-5-methylhex-4-enyl)azanium.

Molecular Properties

Compound Name(2-ethenyl-1-hydroxy-5-methylhex-4-enyl)azanium
PubChem CID149096884
Molecular FormulaC9H18NO+
Molecular Weight156.25 g/mol
Exact Mass156.14
IUPAC Name(2-ethenyl-1-hydroxy-5-methylhex-4-enyl)azanium
SMILESC=CC(CC=C(C)C)C([NH3+])O
InChIInChI=1S/C9H17NO/c1-4-8(9(10)11)6-5-7(2)3/h4-5,8-9,11H,1,6,10H2,2-3H3/p+1
InChIKeyQTUAEEZOGXYRBD-UHFFFAOYSA-O
XLogP0.71
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Amino-2-methylpent-4-en-1-ol
CID 57180788
1-Aminooct-4-ene-1,8-diol
CID 57208307
(E)-8-aminooct-4-en-1-ol
CID 57958042
Amino-(1,4-dimethylcyclohexa-2,4-dien-1-yl)methanol
CID 70392095
1-Amino-2-(2-aminoethyl)-4-methylpent-3-en-1-ol
CID 87157834
1-Amino-2,3-dimethylpent-3-en-1-ol
CID 90725287
1-Amino-2,6-dimethylhept-4-en-1-ol
CID 91061847
1-Amino-2-propan-2-ylbut-3-en-1-ol
CID 91085815
2-Amino-3-pent-1-enyloct-4-en-1-ol
CID 91225527
(E,5S)-5-amino-7-methyloct-3-en-1-ol
CID 117794760
(5E)-1-amino-6,10-dimethylundeca-5,9-dien-1-ol
CID 117940818
(4E)-1-amino-5,9-dimethyldeca-4,8-dien-1-ol
CID 117940937

Frequently Asked Questions

What is the IUPAC name of (2-ethenyl-1-hydroxy-5-methylhex-4-enyl)azanium?
The IUPAC name of (2-ethenyl-1-hydroxy-5-methylhex-4-enyl)azanium (CID 149096884) is (2-ethenyl-1-hydroxy-5-methylhex-4-enyl)azanium.
What is the SMILES notation for (2-ethenyl-1-hydroxy-5-methylhex-4-enyl)azanium?
The canonical SMILES for (2-ethenyl-1-hydroxy-5-methylhex-4-enyl)azanium is C=CC(CC=C(C)C)C([NH3+])O.
What is the InChIKey of (2-ethenyl-1-hydroxy-5-methylhex-4-enyl)azanium?
The InChIKey is QTUAEEZOGXYRBD-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H17NO/c1-4-8(9(10)11)6-5-7(2)3/h4-5,8-9,11H,1,6,10H2,2-3H3/p+1.
What are the key properties of (2-ethenyl-1-hydroxy-5-methylhex-4-enyl)azanium?
(2-ethenyl-1-hydroxy-5-methylhex-4-enyl)azanium has a molecular weight of 156.25 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethenyl-1-hydroxy-5-methylhex-4-enyl)azanium is sourced from PubChem (CID 149096884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).